[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-diethoxyphosphoryl-3-phenyl-propanoate CAS Name: 2-diethoxyphosphoryl-3-phenylpropanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-diethoxyphosphoryl-3-phenylpropanoate Traditional Name: 2-diethoxyphosphoryl-3-phenyl-propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H26BrO7P MolecularWeight: 513.315401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC=CC=C1)C(=O)OCC(=O)C2=CC(=C(C=C2)OC)Br)OCC

InChI

InChI=1S/C22H26BrO7P/c1-4-29-31(26,30-5-2)21(13-16-9-7-6-8-10-16)22(25)28-15-19(24)17-11-12-20(27-3)18(23)14-17/h6-12,14,21H,4-5,13,15H2,1-3H3